7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenyl-2-(trifluoromethyl)chromen-4-one
Formula:C21H18NO4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenyl-2-(trifluoromethyl)chromen-4-one is a drug-like molecule.
| MolName | 7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenyl-2-(trifluoromethyl)chromen-4-one |
| MolecularFormula | C21H18NO4F3 |
| Smiles | Oc(cc1)c(CN2CCOCC2)c(OC(C(F)(F)F)=C2c3ccccc3)c1C2=O |
| InChI | InChI=1S/C21H18F3NO4/c22-21(23,24)20-17(13-4-2-1-3-5-13)18(27)14-6-7-16(26)15(19(14)29-20)12-25-8-10-28-11-9-25/h1-7,26H,8-12H2 |
| InChIK | SSADFDOKFCDYQG-UHFFFAOYSA-N |
| TotalMolweight | 405.371 |
| Molweight | 405.371 |
| MonoisotopicMass | 405.118793 |
| CLogP | 3.0639 |
| CLogS | -3.896 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 281.6 |
| Relative PSA | 0.17646 |
| PolarSurfaceArea | 59 |
| Druglikeness | -6.8172 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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